CID 3050298

Imidazole, 1-methyl-2-(prop-2-ynyl)thio-, hydrobromide

Structural Information

Molecular Formula
C7H8N2S
SMILES
CN1C=CN=C1SCC#C
InChI
InChI=1S/C7H8N2S/c1-3-6-10-7-8-4-5-9(7)2/h1,4-5H,6H2,2H3
InChIKey
NAKIMPZUFZRNFL-UHFFFAOYSA-N
Compound name
1-methyl-2-prop-2-ynylsulfanylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.04082 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.04810 130.2
[M+Na]+ 175.03004 142.1
[M-H]- 151.03354 130.7
[M+NH4]+ 170.07464 149.2
[M+K]+ 191.00398 139.4
[M+H-H2O]+ 135.03808 117.5
[M+HCOO]- 197.03902 143.0
[M+CH3COO]- 211.05467 183.1
[M+Na-2H]- 173.01549 132.0
[M]+ 152.04027 127.6
[M]- 152.04137 127.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.